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| Issue Date | Title | Author(s) |
|---|---|---|
| 6-Aug-2021 | Chemical ordering in Pt-Au, Pt-Ag and Pt-Cu nanoparticles from density functional calculations using a topological approach | Vega Dominguez, Lorena; Aleksandrov, Hristiyan A.; Farris, Riccardo; Bruix, Albert; Viñes Solana, Francesc; Neyman, Konstantin M. |
| 21-Dec-2021 | Accurate calculation of spin-state energy gaps in Fe(iii) spin-crossover systems using density functional methods | Vidal, Daniel; Cirera Fernández, Jordi; Ribas Ariño, Jordi |
| 19-Feb-2021 | Ultrafast resonant interatomic coulombic decay induced by quantum fluid dynamics | LaForge, A. C.; Michiels, R.; Ovcharenko, Y.; Ngai, A.; Escartín Esteban, José María; Berrah, N.; Callegari, C.; Clark, A.; Coreno, M.; Cucini, R.; Di Fraia, M.; Drabbels, M.; Fasshauer, E.; Finetti, P.; Giannessi, L.; Grazioli, C.; Iablonskyi, D.; Langbehn, B.; Nishiyama, T.; Oliver, V.; Piseri, P.; Plekan, O.; Prince, K. C.; Rupp, D.; Stranges, S.; Ueda, K.; Sisourat, N.; Eloranta, J.; Pi Pericay, Martí; Barranco Gómez, Manuel; Stienkemeier, F.; Möller, T.; Mudrich, M. |
| 19-Sep-2021 | Prediction of Partition Coefficients in SDS Micelles by DFT Calculations | Saranjam, Leila; Fuguet i Jordà, Elisabet; Nedyalkova, Miroslava; Simeonov, Vasil; Mas i Pujadas, Francesc; Madurga Díez, Sergio |
| 30-Apr-2020 | Weak localization competes with the quantum oscillations in a natural electronic superlattice: the case of Na1.5(PO2)4(WO3)20 | Kolincio, K. K.; Pérez, O.; Canadell, Enric, 1950-; Alemany i Cahner, Pere; Duverger-Nédellec, E.; Minelli, A.; Bosak, A.; Pautrat, A. |
| 24-Jul-2020 | Tuning Single-Molecule Conductance in Metalloporphyrin-based Wires via Supramolecular Interactions | Aragonès, Albert C.; Martín-Rodríguez, Alejandro; Aravena, Daniel; Puigmartí-Luis, Josep; Amabilino, David B.; Aliaga, N. (Núria); González-Campo, Arántzazu; Ruiz Sabín, Eliseo; Díez Pérez, Ismael |
| 6-Sep-2021 | Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first‐principles study | Hmok, HLinh; Betancourt, I.; Martínez-Aguilar, E.; Ribas Ariño, Jordi; Raymond Herrera, Oscar |
| 14-Apr-2020 | Glycine Residue Twists HOMO¿HOMO Interactions in a Molecular Conductor | El-Ghayoury, Abdelkrim; Mézière, Cécile; Simonov, Sergey; Zorina, Leokadiya; Auban-Senzier, Pascale; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Batail, Patrick |
| 24-Jan-2021 | CO oxidation activity of Pt/CeO2 catalysts below 0ºC: Platinum loading effects | Boronin, A.I.; Slavinskaya, E.M.; Figueroba Sánchez, Alberto; Stadnichenko, A.I.; Kardash, T.Yu.; Stonkus, O.A.; Fedorova, E.A.; Muravev, V.V.; Svetlichnyi, V.A.; Bruix Fusté, Albert; Neyman, Konstantin M. |